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Acetylcholine-d4 (bromide)

CAT: 0804-HY-B0282AS1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0282AS1-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Acetylcholine-d4 (bromide) is the deuterium labeled Acetylcholine bromide[1].
CAS Number
93449-31-1
Product Name Alternative
ACh-d4 (bromide)
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Calcium Channel; Endogenous Metabolite; Isotope-Labeled Compounds; nAChR
Type
Isotope-Labeled Compounds
Related Pathways
Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease; Neuronal Signaling; Others
Field of Research
Others
Purity
98.0
Solubility
10 mM in DMSO|H2O : 250mg/mL (ultrasonic)
Smiles
[2H]C([2H])(OC(C)=O)C([N+](C)(C)C)([2H])[2H].[Br-]
Molecular Formula
C7H12D4BrNO2
Molecular Weight
230.14
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Acetylcholine-1,1,2,2-d4 bromide
CAS Number93449-31-1
PubChem CID131701151
IUPAC Name(2-acetyloxy-1,1,2,2-tetradeuterioethyl)-trimethylazanium bromide
Molecular FormulaC7H16BrNO2
Molecular Weight230.14
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity115
SMILES
[2H]C([2H])(C([2H])([2H])OC(=O)C)[N+](C)(C)C.[Br-]
InChI
InChI=1S/C7H16NO2.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1/i5D2,6D2;
InChIKey
ZEHGKSPCAMLJDC-NXMSQKFDSA-M
Chemical Structure
2D Structure
2D structure of Acetylcholine-1,1,2,2-d4 bromide
CAS: 93449-31-1
CID: 131701151
Formula: C7H16BrNO2
MW: 230.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.14
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass229.06155
Monoisotopic Mass229.06155
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity115
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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TRC-A172072-10MGAcetylcholine-1,1,2,2-d4 Bromide
440873-01Acetylcholine Bromide
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TRC-A172052-5MGAcetylcholine-d9 Bromide
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